Information card for entry 2229568

Structure parameters

• Chemical name: 1-<i>n</i>-decyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C17 H25 N3 O3
• Calculated formula: C17 H25 N3 O3
• SMILES: O=C1Nc2cc(N(=O)=O)ccc2N1CCCCCCCCCC
• Title of publication: 1-<i>n</i>-Decyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Ouzidan, Younes; Kandri Rodi, Y.; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o613
• a: 5.4933 ± 0.0002 Å
• b: 10.3063 ± 0.0004 Å
• c: 16.1655 ± 0.0006 Å
• α: 106.504 ± 0.002°
• β: 98.545 ± 0.002°
• γ: 96.809 ± 0.002°
• Cell volume: 855.21 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes